Geometry & MOs

Info

ID:	121571
PubChem CID:	50773702
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	346.058755
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	3.9
IP(EA), eV:	-8.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CSC2=NC=C(O2)C3=CC=CC=C3)OC

DOS

IR

Vibrations